input word =
C00055541
Metabolite Information
Structural formula
Name
Citrusoside B
Formula
C36H48O15
Mw
720.29932087
CAS RN
1255789-52-6
C_ID
C00055541
InChIKey
UBQMQNATXUCNPX-RCRVUDQWSA-N
InChICode
InChI=1S/C36H48O15/c1-19(2)48-34-32(42)31(41)30(40)25(50-34)18-47-28(38)16-36(6,44)17-29(39)51-26(35(4,5)43)9-7-20(3)11-13-46-33-21-8-10-27(37)49-24(21)15-23-22(33)12-14-45-23/h8,10-12,14-15,19,25-26,30-32,34,40-44H,7,9,13,16-18H2,1-6H3/b20-11+/t25-,26-,30-,31+,32-,34-,36?/m1/s1
SMILES
O=C(C=C1)OC2=C1C(OC/C=C(C)/CC[C@H](C(C)(C)O)OC(CC(O)(C)CC(OC[C@@H]3[C@@H](O)[C@H](O)[C@@H](O)[C@H](OC(C)C)O3)=O)=O)=C(C=CO4)C4=C2
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom
Family
Species
Reference
Plantae
Rutaceae
Citrus hystrix
Ref.
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